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Compound Detail

CHEMBL1519796

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CCOc1cccc(=O)c2c(C)oc(C)c12

Basic Information

ChEMBL ID CHEMBL1519796
Phase Preclinical
Structure Type MOL
InChI Key JGARVUDPDZXBGL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.81
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14O3
MW 218.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.43 4.405 37300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine